SCHEMBL6572726

SCHEMBL6572726

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cccnc2C(O)C(F)COC(C)=O)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
CDK1 P06493 1/20 0.42
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CYP1A2 P05177 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6571733 0.90 GAA (0.47) GAACDK1MAPTKDM4ENPC1
SCHEMBL8539298 0.89 GAA (0.51) GAACDK1MAPTKDM4ENPC1
SCHEMBL3679455 0.86 GAA (0.53) GAACDK1MAPTKDM4ENPC1
SCHEMBL7458447 0.83 GAA (0.50) GAACDK1MAPTKDM4ENPC1
SCHEMBL7806546 0.82 GAA (0.48) GAACDK1MAPTKDM4ENPC1
SCHEMBL7456515 0.82 GAA (0.53) GAACDK1MAPTKDM4ENPC1
SCHEMBL14366604 0.81 GAA (0.54) GAACDK1MAPTKDM4ENPC1
SCHEMBL8097780 0.81 GAA (0.50) GAACDK1MAPTKDM4ENPC1
SCHEMBL6942357 0.80 GAA (0.45) GAACDK1MAPTKDM4ENPC1
SCHEMBL9522863 0.79 GAA (0.50) GAACDK1MAPTKDM4ENPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116298-A1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG LIFE SCIENCES 2004-06-17 US claimed
EP-1334099-B1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD (KR) 2004-03-10 EP claimed
EP-1334099-A4 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD (KR) 2003-08-13 EP claimed
EP-1334099-A1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG Chem Investment Ltd. (KR) 2003-08-13 EP claimed
WO-2002030921-A1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD. (KR) 2002-04-18 WO claimed
US-6762305-B2 PRE- AND/OR POST-EMERGENCE TREATMENT IN RICE FARMING LG LIFE SCIENCES (KR) 2004-07-13 US disclosed
US-20040116298-A1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG LIFE SCIENCES 2004-06-17 US disclosed
EP-1334099-B1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD (KR) 2004-03-10 EP disclosed